Limberti Simone, Emmett Liam, Trandafir Anamaria, Kociok-Köhn Gabriele, Pantoş G Dan
Department of Chemistry , University of Bath , Bath , BA2 7AY , UK . Email:
Chem Sci. 2019 Aug 28;10(41):9565-9570. doi: 10.1039/c9sc02489a. eCollection 2019 Nov 7.
We report the synthesis and characterization of a series of arene-borazine hybrids called borazatruxenes. These molecules are BN-isosteres of truxene whereby the central benzene core has been replaced by a borazine ring. The straightforward three step synthesis, stability and their chiroptical and electronic properties recommend them as new scaffolds for BN-carbon hybrid materials. Computational studies at DFT level, closely matching the experimental data, provided insights in the electronic structure of these molecules.
我们报道了一系列名为硼氮杂卓的芳烃-硼嗪杂化物的合成与表征。这些分子是均三苯的硼氮等电子体，其中央苯环被硼嗪环取代。其简单的三步合成法、稳定性以及它们的手性光学和电子性质使其成为硼氮-碳杂化材料的新型骨架。密度泛函理论（DFT）水平的计算研究与实验数据高度匹配，为这些分子的电子结构提供了深入见解。
